2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C20H25N7O — CID 143560817

IUPAC2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(CCN(CC)c1nc(-c2ccncc2)cc(=O)n1C)c1ncccn1
InChIInChI=1S/C20H25N7O/c1-4-26(19-22-9-6-10-23-19)13-14-27(5-2)20-24-17(15-18(28)25(20)3)16-7-11-21-12-8-16/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyXMUJCADPPOWAMJ-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.99
Rot. Bonds8

About 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 143560817) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID143560817
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCCN(CCN(CC)c1nc(-c2ccncc2)cc(=O)n1C)c1ncccn1
InChIInChI=1S/C20H25N7O/c1-4-26(19-22-9-6-10-23-19)13-14-27(5-2)20-24-17(15-18(28)25(20)3)16-7-11-21-12-8-16/h6-12,15H,4-5,13-14H2,1-3H3
InChIKeyXMUJCADPPOWAMJ-UHFFFAOYSA-N
XLogP1.99
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 143560817) is 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is CCN(CCN(CC)c1nc(-c2ccncc2)cc(=O)n1C)c1ncccn1.
What is the InChIKey of 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is XMUJCADPPOWAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-4-26(19-22-9-6-10-23-19)13-14-27(5-2)20-24-17(15-18(28)25(20)3)16-7-11-21-12-8-16/h6-12,15H,4-5,13-14H2,1-3H3.
What are the key properties of 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 379.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[ethyl(pyrimidin-2-yl)amino]ethyl]amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 143560817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).